1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene

C16H16BrClO — CID 63443615

IUPAC1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-10-4-5-11(2)14(8-10)16(17)13-7-6-12(19-3)9-15(13)18/h4-9,16H,1-3H3
InChIKeyQGEVLXUEAQYEPQ-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.45
Rot. Bonds3

About 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene

1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene (PubChem CID 63443615) has the molecular formula C16H16BrClO and a molecular weight of 339.66 g/mol. Its IUPAC name is 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
PubChem CID63443615
Molecular FormulaC16H16BrClO
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2cc(C)ccc2C)c(Cl)c1
InChIInChI=1S/C16H16BrClO/c1-10-4-5-11(2)14(8-10)16(17)13-7-6-12(19-3)9-15(13)18/h4-9,16H,1-3H3
InChIKeyQGEVLXUEAQYEPQ-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.66
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 65311705
1-[bromo-(2,5-dimethylphenyl)methyl]-2,4-dimethoxybenzene
CID 63442063
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
1-[1-bromo-2-(2,5-dimethylphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443786
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
1-[bromo-[2-(trifluoromethyl)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63443367
1-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 102884625

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene?
The IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene (CID 63443615) is 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene is COc1ccc(C(Br)c2cc(C)ccc2C)c(Cl)c1.
What is the InChIKey of 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene?
The InChIKey is QGEVLXUEAQYEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO/c1-10-4-5-11(2)14(8-10)16(17)13-7-6-12(19-3)9-15(13)18/h4-9,16H,1-3H3.
What are the key properties of 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene?
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene has a molecular weight of 339.66 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene is sourced from PubChem (CID 63443615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).